General Information of the Compound
| Compound ID |
CP0041047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-fluoro-9-(2-isopropoxy-ethyl)-9H-purin-6-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23ClFN5O4S
|
||||||||||||||||||
| Molecular Weight |
471.942
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJXZFKAGNMPIEM-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound